phosphorosobenzene;1,3,5-trimethylbenzene

C15H17OP — CID 174783868

IUPACphosphorosobenzene;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=Pc1ccccc1
InChIInChI=1S/C9H12.C6H5OP/c1-7-4-8(2)6-9(3)5-7;7-8-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H
InChIKeySKFBZMOGAOMKDK-UHFFFAOYSA-N
MW244.27 g/mol
LogP4.22
Rot. Bonds1

About phosphorosobenzene;1,3,5-trimethylbenzene

phosphorosobenzene;1,3,5-trimethylbenzene (PubChem CID 174783868) has the molecular formula C15H17OP and a molecular weight of 244.27 g/mol. Its IUPAC name is phosphorosobenzene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namephosphorosobenzene;1,3,5-trimethylbenzene
PubChem CID174783868
Molecular FormulaC15H17OP
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Namephosphorosobenzene;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.O=Pc1ccccc1
InChIInChI=1S/C9H12.C6H5OP/c1-7-4-8(2)6-9(3)5-7;7-8-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H
InChIKeySKFBZMOGAOMKDK-UHFFFAOYSA-N
XLogP4.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phosphorosobenzene;1,3,5-trimethylbenzene?
The IUPAC name of phosphorosobenzene;1,3,5-trimethylbenzene (CID 174783868) is phosphorosobenzene;1,3,5-trimethylbenzene.
What is the SMILES notation for phosphorosobenzene;1,3,5-trimethylbenzene?
The canonical SMILES for phosphorosobenzene;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.O=Pc1ccccc1.
What is the InChIKey of phosphorosobenzene;1,3,5-trimethylbenzene?
The InChIKey is SKFBZMOGAOMKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H5OP/c1-7-4-8(2)6-9(3)5-7;7-8-6-4-2-1-3-5-6/h4-6H,1-3H3;1-5H.
What are the key properties of phosphorosobenzene;1,3,5-trimethylbenzene?
phosphorosobenzene;1,3,5-trimethylbenzene has a molecular weight of 244.27 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorosobenzene;1,3,5-trimethylbenzene is sourced from PubChem (CID 174783868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).